Dibutyl squarate Chemical Properties

Boiling point:

139 °C0.5 mm Hg(lit.)

Density 

1.047 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.494(lit.)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

form 

Liquid

color 

Clear colorless to yellow

Water Solubility 

INSOLUBLE

BRN 

1968189

InChI

InChI=1S/C12H18O4/c1-3-5-7-15-11-9(13)10(14)12(11)16-8-6-4-2/h3-8H2,1-2H3

InChIKey

XBRWELTXMQSEIN-UHFFFAOYSA-N

SMILES

C1(=O)C(OCCCC)=C(OCCCC)C1=O

CAS DataBase Reference

2892-62-8(CAS DataBase Reference)

NIST Chemistry Reference

Dibutyl squarate(2892-62-8)

Safety Information

Hazard Codes 

Xn

Risk Statements 

36/37/38-42/43

Safety Statements 

26-27-36/37/39-45

WGK Germany 

3

RTECS 

GU1772066

HS Code 

29145090

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

Dibutyl squarate Usage And Synthesis

Chemical Properties

clear colorless to yellow liquid

Uses

3,4-Dibutoxy-3-cyclobutene-1,2-dione was used in the synthesis of novel semisquarylium dye, useful for highly selective Hg2+ sensing in aqueous media. It was also employed in the synthesis of 3-butoxy-4-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolylidenemethyl)-3-cyclobutene-1,2-dione, intermediate for the synthesis of squaryl dyes.

Uses

Squaric acid and its derivatives (Dibutyl squarate) are used in synthesis of pharmaceutical intermediates, squarylium dyes, and photoconducting squaraines.

Definition

ChEBI: A cyclic ketone and diether that is a dibutyl ether derivative of squaric acid.

General Description

3,4-Dibutoxy-3-cyclobutene-1,2-dione is the dialkyl ester of squaric acid.

Dibutyl squarate(2892-62-8)Related Product Information

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